AG0035W4

604-35-3 | Cholesteryl acetate

AG0035W4

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CAS Number	604-35-3
Catalog Number	AG0035W4(AGN-PC-0SW55T)
Chemical Name	Cholesteryl acetate
EC Number	210-066-4
IUPAC Name	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key	XUGISPSHIFXEHZ-VEVYEIKRSA-N
MDL Number	MFCD00003636
Molecular Formula	C29H48O2
Molecular Weight	428.6902
SMILES	C(C)(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H](CCCC(C)C)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C
UNII	OTA9A3781T
Synonyms	cholesterol acetate, cholesteryl acetate, Cholesterol acetate, Cholesteryl acetate, 604-35-3, 3b-Acetoxycholest-5-ene, 3beta-Acetoxycholest-5-ene, UNII-OTA9A3781T, Cholest-5-en-3beta-ol acetate, Cholest-5-en-3beta-yl acetate, Cholesterin acetate, OTA9A3781T, CHEBI:78242, XUGISPSHIFXEHZ-VEVYEIKRSA-N, (3beta)-cholest-5-en-3-yl acetate, MFCD00003636, CCRIS 5350, Cholest-5-en-3-beta-yl acetate, NSC 8799, EINECS 210-066-4, 3-Cholesteryl acetate, Cholesterol 3-acetate, AI3-24120, (-)-Cholesteryl acetate, 3beta-Acetoxy-5-cholestene, Cholest-5-en-3-yl acetate #, 5-Cholesten-3beta-ol 3-acetate, 3beta-Hydroxy-5-cholestene 3-acetate, Acetyl Cholesterol, Cholest-5-en-3-ol (3beta)-, acetate, cholesteryl-acetate, 3a-Cholesterol acetate, cholesterol 3beta-acetate, Cholesteryl acetate, 97%, AC1MC3U3, Cholesterol, acetate (8CI), SCHEMBL25655, Acetic Acid Cholesterol Ester, CHEMBL3138728, ZINC3861169, (3beta)-cholest-5-en-3-ol acetate, ANW-33498, LMST01010245, AKOS015955666, MCULE-2659782471, AJ-46138, Cholest-5-en-3-ol (3beta)-, 3-acetate, TC-122243, ST24028626, W-105252, (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, (3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, Acebrochol, Cholesterylacetate, Cholesterol, acetate, cc-133, 5-Cholesten-3beta-ol acetate, C29H48O2, c0319, C29-H48-O2, CID2723897, Cholest-5-en-3-ol (3.beta.)-, acetate, Cholest-5-en-3-ol, acetate, (3.beta.)-,

Complexity	693
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	428.365g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	428.701g/mol
Monoisotopic Mass	428.365g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	normal

Certificate of Analysis

Lot Number